Heart failure is a serious public health problem with tens of millions of people suffering from its poor prognosis. Epidemiological studies indicate that its morbidity is rising year by year and its mortality has dramatically increased in recent years, with a trend towards younger people. Although great progress has been achieved in the development of medicine in recent years, finding effective agents against heart failure remains an unconquered area in medicine development. A large number of natural medicines and their bioactive compounds, possessing mild and low toxicity as well as multiple target comprehensive effects, have been implicated in a wide range of pharmacological properties in recovering heart function, reducing energy barriers, and improving the life quality of patients. In recent years, they have been widely applied in clinical treatment for heart failure. Hence, summarizing and elucidating the convincing mechanisms for these natural medicines and their bioactive compounds would provide therapeutic targets and benefits for the treatment against heart failure.